UCSF

ZINC39911943

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 39 Yes

Popular Name: (3aR,4R)-4-(4-benzyloxy-3-ethoxy-phenyl)-5-butyl-3-(2-hydroxy-3,5-dimethyl-phenyl)-3a,4-dihydropyrro (3aR,4R)-4-(4-benzyloxy-3-ethoxy…

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Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.60 13.27 -16.93 2 7 0 88 525.649 10 ↓
Hi High (pH 8-9.5) 6.37 13.6 -52.94 0 7 -1 87 524.641 10 ↓
Hi High (pH 8-9.5) 6.37 13.85 -60.83 0 7 -1 87 524.641 10 ↓
Hi High (pH 8-9.5) 6.60 14.22 -42.45 1 7 -1 91 524.641 10 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )